Chemical Identity
Molecular Formula
C8H7BClNO2
Molecular Weight
195.41 g/mol
Exact Mass
195.025836
PubChem CID
130058718
SMILES String
Cc1cc(Cl)c(B(O)O)cc1C#N
Names & Synonyms
External Identifiers
Catalog Overview
(2-Chloro-5-cyano-4-methylphenyl)boronic acid, identified by CAS 1393536-50-9, is a highly functionalized arylboronic acid with the molecular formula C8H7BClNO2 and a molecular weight of 195. 41 g/mol. This compound features a phenyl ring substituted with a chlorine atom, a cyano group, a methyl group, and a boronic acid moiety. As a functionalized intermediate, it is a valuable reagent in synthetic organic chemistry.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
(2-Chloro-5-cyano-4-methylphenyl)boronic acid, identified by CAS 1393536-50-9, is a highly functionalized arylboronic acid with the molecular formula C8H7BClNO2 and a molecular weight of 195.41 g/mol. This compound features a phenyl ring substituted with a chlorine atom, a cyano group, a methyl group, and a boronic acid moiety. As a functionalized intermediate, it is a valuable reagent in synthetic organic chemistry. Its boronic acid group readily participates in various coupling reactions, most notably the Suzuki-Miyaura cross-coupling, to introduce the substituted phenyl ring into target molecules. The presence of chloro, cyano, and methyl groups offers diverse opportunities for further chemical modifications and allows for the construction of complex molecular architectures relevant to medicinal chemistry, agrochemistry, and materials science research. This compound is intended for Research Use Only (RUO).
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white solid
Physical State
Solid
Melting Point
218.0 °C
Boiling Point
288.0 °C
Density
1.4 g/cm³
Water Solubility
9.33 × 10⁻⁴ mol/L
Applications / Classifications
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary safety-style information for reference only. Not a supplier SDS.
Handling and Storage
- Handle with appropriate personal protective equipment (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures. Store in a cool, dry place, away from incompatible materials. This chemical is for research use only and not for human or animal consumption.
Related Products / Graph Discovery
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Recommended application cues
Catalog discovery cues, not supplier-verified claims.
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